SMILES:
CN(C)CCC1[C]([Zr+2][CH]2C=CC=C2)=Cc2ccccc21.[Cl-].[Cl-]Molecular Processing
Molecular formula
C18H21Cl2NZr
Molecular weight
413.5
Exact mass
411.0098
XLogP
-1.92
TPSA
3.24
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
3
Fraction Csp3
0.333
Molar refractivity
82.36
Supplementary Information
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